N-[6-[4-(1,3-benzodioxol-5-ylcarbonyl)-1,4-diazepan-1-yl]pyridin-3-yl]-2-methyl-benzamide

Systemtic Name: N-[6-[4-(1,3-benzodioxol-5-ylcarbonyl)-1,4-diazepan-1-yl]pyridin-3-yl]-2-methyl-benzamide Openeye Name: N-[6-[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-3-pyridyl]-2-methyl-benzamide CAS Name: N-[6-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-2-methylbenzamide IUPAC Name: N-[6-[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]pyridin-3-yl]-2-methylbenzamide Traditional Name: 2-methyl-N-[6-(4-piperonyloyl-1,4-diazepan-1-yl)-3-pyridyl]benzamide Formula: C26H26N4O4 MolecularWeight: 458.50904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H26N4O4/c1-18-5-2-3-6-21(18)25(31)28-20-8-10-24(27-16-20)29-11-4-12-30(14-13-29)26(32)19-7-9-22-23(15-19)34-17-33-22/h2-3,5-10,15-16H,4,11-14,17H2,1H3,(H,28,31)